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The massive trend of integrating data-driven AI capabilities into traditional software systems is rising new intriguing challenges. One of such challenges is achieving a smooth transition from the explorative phase of Machine Learning…
Diverse presentation formats play a pivotal role in effectively conveying code and analytical processes during data analysis. One increasingly popular format is tutorial videos, particularly those based on Jupyter notebooks, which offer an…
Computational notebook software such as Jupyter Notebook is popular for data science tasks. Numerous computational notebooks are available on the Web and reusable; however, searching for computational notebooks manually is a tedious task,…
Jupyter Notebook is a popular tool among data analysts and scientists for working with data. It provides a way to combine code, documentation, and visualizations in a single, interactive environment, facilitating code reuse. While code…
Computational methods for predicting and designing biomolecular structures are increasingly powerful. While previous approaches relied on physics-based modeling, modern tools, such as AlphaFold2 in CASP14, leverage artificial intelligence…
We introduce QSTToolkit, a Python library for performing quantum state tomography (QST) on optical quantum state measurement data. The toolkit integrates traditional Maximum Likelihood Estimation (MLE) with deep learning-based techniques to…
With the advent of Open Science, researchers have started to publish their research artefacts (i. e., data, software, and other products of the investigations) in order to allow others to reproduce their investigations. While this…
Large language models (LLMs) benefit greatly from prompt engineering, with in-context learning standing as a pivital technique. While former approaches have provided various ways to construct the demonstrations used for in-context learning,…
In this article we describe how we successfully incorporated data analysis in Python in a first-year laboratory course without significantly altering the course structure and without overburdening students. We show how we created and used…
Motivation: Novel machine learning and statistical modeling studies rely on standardized comparisons to existing methods using well-studied benchmark datasets. Few tools exist that provide rapid access to many of these datasets through a…
Automated unit test generation is an established research field, and mature test generation tools exist for statically typed programming languages such as Java. It is, however, substantially more difficult to automatically generate…
Proper experimental record-keeping is an important cornerstone in research and development for the purpose of auditing. The gold standard of record-keeping is based on the judicious use of physical, permanent notebooks. However, advances in…
Interactive notebooks are a precious tool for creating graphical user interfaces and teaching materials. Python and Jupyter are becoming increasingly popular in this context, with Jupyter widgets at the core of the interactive…
The increasing reliance on machine learning (ML) models for decision-making requires high-quality training data. However, access to real-world datasets is often restricted due to privacy concerns, proprietary restrictions, and incomplete…
Despite being the most popular programming language, Python has not yet received enough attention from the community. To the best of our knowledge, there is no general static analysis framework proposed to facilitate the implementation of…
Computational reproducibility refers to obtaining consistent results when rerunning an experiment. Jupyter Notebook, a web-based computational notebook application, facilitates running, publishing, and sharing computational experiments…
It is important for researchers to understand precisely how data scientists turn raw data into insights, including typical programming patterns, workflow, and methodology. This paper contributes a novel system, called DataInquirer, that…
Academic trade requires juggling multiple variants of the same content published in different formats: manuscripts, presentations, posters and computational notebooks. The need to track versions to accommodate for the…
As a representative literate programming platform, Jupyter is widely adopted by developers, data analysts, and researchers for replication, data sharing, documentation, interactive data visualization, and more. Understanding the bugs in the…
PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…